(3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C21H28N6O2 — CID 124983698

IUPAC(3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccnn2C2CCCC2)C1
InChIInChI=1S/C21H28N6O2/c22-20(29)21(17-8-3-4-11-23-17)10-5-13-26(15-21)14-19(28)25-18-9-12-24-27(18)16-6-1-2-7-16/h3-4,8-9,11-12,16H,1-2,5-7,10,13-15H2,(H2,22,29)(H,25,28)/t21-/m1/s1
InChIKeyNFSIWAOFMZUDBY-OAQYLSRUSA-N
MW396.50 g/mol
LogP1.85
Rot. Bonds6

About (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124983698) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124983698
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name(3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccnn2C2CCCC2)C1
InChIInChI=1S/C21H28N6O2/c22-20(29)21(17-8-3-4-11-23-17)10-5-13-26(15-21)14-19(28)25-18-9-12-24-27(18)16-6-1-2-7-16/h3-4,8-9,11-12,16H,1-2,5-7,10,13-15H2,(H2,22,29)(H,25,28)/t21-/m1/s1
InChIKeyNFSIWAOFMZUDBY-OAQYLSRUSA-N
XLogP1.85
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986533
1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152705
(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124959329
(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 129458524
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride
CID 120771614
(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125026870
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride
CID 120760755
1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152504
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 9438130
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 134702607
ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8772836
N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46613977

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124983698) is (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccnn2C2CCCC2)C1.
What is the InChIKey of (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is NFSIWAOFMZUDBY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N6O2/c22-20(29)21(17-8-3-4-11-23-17)10-5-13-26(15-21)14-19(28)25-18-9-12-24-27(18)16-6-1-2-7-16/h3-4,8-9,11-12,16H,1-2,5-7,10,13-15H2,(H2,22,29)(H,25,28)/t21-/m1/s1.
What are the key properties of (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124983698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).